(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol

C11H10Cl2N2O — CID 853401

IUPAC(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m0/s1
InChIKeyUKVLTPAGJIYSGN-NSHDSACASA-N
MW257.12 g/mol
LogP2.92
Rot. Bonds3

About (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol

(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 853401) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
PubChem CID853401
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m0/s1
InChIKeyUKVLTPAGJIYSGN-NSHDSACASA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(2,4-dichlorophenyl)ethanethioate
CID 54353590
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
1-[2-azido-2-deuterio-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 154613010
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (CID 853401) is (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is UKVLTPAGJIYSGN-NSHDSACASA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m0/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 257.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 853401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).